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First-principles study of vibrational and dielectric properties of C3N4 polymorphs

Bibliographic reference Rignanese, Gian-Marco ; Charlier, Jean-Christophe ; Gonze, Xavier. First-principles study of vibrational and dielectric properties of C3N4 polymorphs. In: Physical Review B, Vol. 66, no. 20, p. 205416 (2002)
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  1. Cohen Marvin L., Calculation of bulk moduli of diamond and zinc-blende solids, 10.1103/physrevb.32.7988
  2. LIU A. Y., COHEN M. L., Prediction of New Low Compressibility Solids, 10.1126/science.245.4920.841
  3. A. Y. Liu, Phys. Rev. B, 41, 10 (1990)
  4. Ciaramella E., Tamburrini M., Santamato E., Observation of dihedral transverse patterning of Gaussian beams in nonlinear optics, 10.1103/physreva.50.r10
  5. Guo Yuejin, Goddard William A., Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio), 10.1016/0009-2614(95)00267-8
  6. Teter D. M., Hemley R. J., Low-Compressibility Carbon Nitrides, 10.1126/science.271.5245.53
  7. Yoon Young-Gui, Pfrommer Bernd G., Mauri Francesco, Louie Steven G., NMR Chemical Shifts in Hard Carbon Nitride Compounds, 10.1103/physrevlett.80.3388
  8. Han He-Xiang, Feldman Bernard J., Structural and optical properties of amorphous carbon nitride, 10.1016/0038-1098(88)90732-6
  9. Sekine T., Kanda H., Bando Y., Yokoyama M., Hojou K., A graphitic carbon nitride, 10.1007/bf00721588
  10. Wixom Michael R., Chemical Preparation and Shock Wave Compression of Carbon Nitride Precursors, 10.1111/j.1151-2916.1990.tb05254.x
  11. Maya Leon, Cole David R., Hagaman Edward W., Carbon-Nitrogen Pyrolyzates: Attempted Preparation of Carbon Nitride, 10.1111/j.1151-2916.1991.tb07161.x
  12. Marton D., Boyd K. J., Al-Bayati A. H., Todorov S. S., Rabalais J. W., Carbon Nitride Deposited Using Energetic Species: A Two-Phase System, 10.1103/physrevlett.73.118
  13. Niu C., Lu Y. Z., Lieber C. M., Experimental Realization of the Covalent Solid Carbon Nitride, 10.1126/science.261.5119.334
  14. Yu Kin Man, Cohen Marvin L., Haller E. E., Hansen W. L., Liu Amy Y., Wu I. C., Observation of crystallineC3N4, 10.1103/physrevb.49.5034
  15. Rivière J.P., Texier D., Delafond J., Jaouen M., Mathé E.L., Chaumont J., Formation of the crystalline β-C3N4 phase by dual ion beam sputtering deposition, 10.1016/0167-577x(94)00233-9
  16. Ren Zhong-Min, Du Yuan-Cheng, Qiu Yuanxun, Wu Jia-Da, Ying Zhi-Feng, Xiong Xia-Xing, Li Fu-Ming, Carbon nitride films synthesized by combined ion-beam and laser-ablation processing, 10.1103/physrevb.51.5274
  17. Guo L.P., Chen Y., Wang E.G., Li L., Zhao Z.X., Identification of a new CN phase with monoclinic structure, 10.1016/s0009-2614(97)00174-7
  18. Martin-Gil Jesús, Martin-Gil Francisco J., Sarikaya Mehmet, Qian Maoxu, José-Yacamán Miguel, Rubio Angel, Evidence of a low compressibility carbon nitride with defect-zincblende structure, 10.1063/1.364301
  19. Chen L.C., Bhusari D.M., Yang C.Y., Chen K.H., Chuang T.J., Lin M.C., Chen C.K., Huang Y.F., Si-containing crystalline carbon nitride derived from microwave plasma-enhanced chemical vapor deposition, 10.1016/s0040-6090(97)00041-2
  20. Yen Tyan‐Ywan, Chou Chang‐Pin, Growth and characterization of carbon nitride thin films prepared by arc‐plasma jet chemical vapor deposition, 10.1063/1.114789
  21. Yen Tyan-Ywan, Chou Chang-Pin, Synthesis of carbon nitride films by magnetically rotated arc-plasma jet chemical vapor deposition, 10.1016/0038-1098(95)00275-8
  22. P.-N. Wang, Phys. Rev. B, 59, 13 (1999)
  23. Zhang Yongping, Gu Yousong, Fourier transform infrared and Raman spectroscopy studies on a - and ß-C3N4films, 10.1080/09500830110051809
  24. J. H. Kaufman, Phys. Rev. B, 39, 13 (1989)
  25. Bousetta A., Lu M., Bensaoula A., Schultz A., Formation of carbon nitride films on Si(100) substrates by electron cyclotron resonance plasma assisted vapor deposition, 10.1063/1.112272
  26. Lu Y. F., Ren Z. M., Song W. D., Chan D. S. H., Low T. S., Gamani K., Chen G., Li K., Studies of carbon nitride thin films synthesized by KrF excimer laser ablation of graphite in a nitrogen atmosphere, 10.1063/1.368446
  27. Aoi Yoshifumi, Ono Kojiro, Kamijo Eiji, Preparation of amorphous CNx thin films by pulsed laser deposition using a radio frequency radical beam source, 10.1063/1.371048
  28. J. P. Perdew, Phys. Rev. B, 45, 13 (1992)
  29. Ceperley D. M., Alder B. J., Ground State of the Electron Gas by a Stochastic Method, 10.1103/physrevlett.45.566
  30. Troullier N., Martins José Luriaas, Efficient pseudopotentials for plane-wave calculations, 10.1103/physrevb.43.1993
  31. Gonze Xavier, Allan Douglas C., Teter Michael P., Dielectric tensor, effective charges, and phonons in α-quartz by variational density-functional perturbation theory, 10.1103/physrevlett.68.3603
  32. X. Gonze, Phys. Rev. B, 55, 10 (1997)
  33. Sugiyama Kazuhiko, Yoda Jun, Production ofYbH+by chemical reaction ofYb+in excited states withH2gas, 10.1103/physreva.55.r10
  34. F. Barreca, Phys. Rev. B, 62, 16 (2000)
  35. Rendell R. W., Interaction of a relaxing system with a dynamical environment, 10.1103/physreve.48.r17
  36. H. Yao, Phys. Rev. B, 50, 11 (1994)
  37. Miyamoto Yoshiyuki, Cohen Marvin L., Louie Steven G., Theoretical investigation of graphitic carbon nitride and possible tubule forms, 10.1016/s0038-1098(97)00025-2
  38. Wada N., Solin S.A., Wong J., Prochazka S., Raman and IR absorption spectroscopic studies on α, β, and amorphous Si3N4, 10.1016/0022-3093(81)90169-1
  39. Honda Katsuya, Yokoyama Shino, Tanaka Shun-ichiro, Assignment of the Raman active vibration modes of β-Si3N4 using micro-Raman scattering, 10.1063/1.369366
  40. Dong Jianjun, Sankey Otto F., Comment on “Assignment of the Raman active vibration modes of β-Si3N4 using micro-Raman scattering” [J. Appl. Phys. 85, 7380 (1999)], 10.1063/1.371969
  41. Goedecker S., Fast Radix 2, 3, 4, and 5 Kernels for Fast Fourier Transformations on Computers with Overlapping Multiply--Add Instructions, 10.1137/s1064827595281940
  42. Payne M. C., Teter M. P., Allan D. C., Arias T. A., Joannopoulos J. D., Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients, 10.1103/revmodphys.64.1045
  43. Gonze Xavier, Towards a potential-based conjugate gradient algorithm for order-Nself-consistent total energy calculations, 10.1103/physrevb.54.4383